dimethyl benzyl carbinyl formate

General Material Information

Preferred name	dimethyl benzyl carbinyl formate
Trivial Name	α,α-Dimethylphenethyl formate
Short Description	alpha,alpha-dimethylphenethyl formate
Formula	C11 H14 O2
CAS Number	10058-43-2
FEMA Number	2395
Flavis Number	9.086
FDA UNII	48E8S6VRQ8
Nikkaji Number	J414.427I
COE Number	353
xLogP3-AA	2.70 (est)
NMR Predictor	External link
JECFA Food Flavoring	1654 alpha,alpha-dimethylphenethyl formate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	10058-43-2 ; ALPHA,ALPHA-DIMETHYLPHENETHYL FORMATE
Synonyms	benzeneethanol, a,a-dimethyl-, formate benzyl dimethyl carbinyl formate benzyl propyl formate 2-benzyl-2-propyl formate alpha,alpha- dimethyl benzene ethyl formate alpha,alpha- dimethyl phenethyl formate alpha,alpha- dimethyl phenyl ethyl formate alpha,alpha- dimethylphenethyl formate dmbc formate 2-methyl-1-phenyl-2-propyl formate (2-methyl-1-phenylpropan-2-yl) formate phenethyl alcohol, a,a-dimethyl-, formate (2-methyl-1-phenylpropan-2-yl) formate Benzeneethanol, α,α-dimethyl-, 1-formate Phenethyl alcohol, α,α-dimethyl-, formate Benzeneethanol, α,α-dimethyl-, formate Benzyldimethylcarbinyl formate α,α-Dimethylphenethyl formate Dimethylbenzylcarbinyl formate 2-Methyl-1-phenylpropan-2-yl formate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	HMDB36235
FooDB:	FDB015093
Export Tariff Code:	2915.13.0000
ChemSpider:	View

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	178.23098754883
Specific gravity	@ 25 °C
Pounds per Gallon	8.521 to 8.587
Refractive Index	1.499 to 1.502 @ 20 °C
Boiling Point	221 to 222°C @ 760 mm Hg
Vapor Pressure	0.015 mmHg @ 25 °C
Flash Point TCC Value	119.44 °C TCC
logP (o/w)	2.64 est
Shelf life	24 months (or longer if stored properly.)
Storage notes	Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol	Yes
water, slightly	Yes
water, 189 mg/L @ 25 °C (est)	Yes
water	No

Organoleptic Properties

Odor Type: Herbal
dry, herbal, green, lily, jasmin
Odor strength	medium
Substantivity	72 hour(s) at 100.00 %
Luebke, William tgsc, (1985)	At 100.00 %. dry herbal green lily jasmin

Potential Uses

Applications	flavor and fragrance agents
Odor purposes	Floral, Green, Herbal, Jasmin, Lily

Safety Information

Safety information

European information :
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for dimethyl benzyl carbinyl formate usage levels up to:
	5.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.40 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		3900 (μg/person/day)
Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
		average usual ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		-	2.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	10.00000
fruit ices:		-	10.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	10.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		7.00000	35.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		5.00000	25.00000
Edible ices, including sherbet and sorbet (03.0):		10.00000	50.00000
Processed fruit (04.1):		7.00000	35.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		10.00000	50.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		5.00000	25.00000
Bakery wares (07.0):		10.00000	50.00000
Meat and meat products, including poultry and game (08.0):		2.00000	10.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		2.00000	10.00000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		5.00000	25.00000
Foodstuffs intended for particular nutritional uses (13.0):		10.00000	50.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		5.00000	25.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		10.00000	50.00000
Ready-to-eat savouries (15.0):		20.00000	100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		5.00000	25.00000

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 89 (FGE.89): Consideration of phenyl-substituted aliphatic tertiary alcohols and related aldehydes and esters evaluated by JECFA (63rd and 68th meetings) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 (2009)
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):10058-43-2

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :61464

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

(2-methyl-1-phenylpropan-2-yl) formate

Chemidplus:0010058432